1-Aminotridec-3-en-2-ol

Details

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Internal ID 9bbd304e-1e8a-46c6-9005-35eb89f9647a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
IUPAC Name 1-aminotridec-3-en-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h10-11,13,15H,2-9,12,14H2,1H3
InChI Key PCGUKDYSDYKWGO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H27NO
Molecular Weight 213.36 g/mol
Exact Mass 213.209264485 g/mol
Topological Polar Surface Area (TPSA) 46.30 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Aminotridec-3-en-2-ol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.81% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.68% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.42% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.08% 98.95%
CHEMBL299 P17252 Protein kinase C alpha 93.00% 98.03%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.42% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 92.29% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.18% 92.08%
CHEMBL2885 P07451 Carbonic anhydrase III 90.82% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 90.32% 90.17%
CHEMBL230 P35354 Cyclooxygenase-2 89.95% 89.63%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.73% 96.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.15% 91.11%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 86.05% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.91% 93.56%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.18% 97.21%
CHEMBL2996 Q05655 Protein kinase C delta 83.79% 97.79%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.57% 97.25%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.68% 96.47%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.54% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 82.31% 93.31%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.18% 100.00%
CHEMBL4581 P52732 Kinesin-like protein 1 81.20% 93.18%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 140665684
LOTUS LTS0215471
wikiData Q105205721